Vitas-M small molecule compound

3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-valinate

Catalog ID
STL461786
SMILES CC([C@@H](C(=O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C30H31NO6S MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO6S/c1-18(2)27(31-38(34,35)23-13-11-19(3)12-14-23)30(33)36-26-16-15-24-20(4)25(17-22-9-7-6-8-10-22)29(32)37-28(24)21(26)5/h6-16,18,27,31H,17H2,1-5H3/t27-/m0/s1
InChIKey
MVYDIUREGJBVCO-MHZLTWQESA-N
Synonyms
956705-59-2
(3BENZYL48DIMETHYL2OXOCHROMEN7YL)(2S)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)BUTANOATE
(S)3benzyl48dimethyl2oxo2Hchromen7yl3methyl2(4methylphenylsulfonamido)butanoate
3benzyl48dimethyl2oxo2Hchromen7ylN((4methylphenyl)sulfonyl)Lvalinate
956705592
CC((C@@H)(C(=O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)C
CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C
InChI=1SC30H31NO6Sc118(2)27(3138(3435)23131119(3)121423)30(33)362616152420(4)25(172297681022)29(32)3728(24)21(26)5h616182731H17H215H3t27m0s1
ZINC000002111185
ZINC2111185

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Available files

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